Dear Jason,
> The "loadOFF" command in leap allows you to load any library files you have
> laying around. The directories that are searched for the library files are
> $AMBERHOME/dat/leap/lib as well as the current working directory. You can
> add more directories to your search path via the -I flag to tleap. That is,
>
> tleap -I/path/to/my/libs
ok thanks.
We have developed a new force field library file format .
q4md-forcefieldtools.org within LEaP.
See
http://q4md-forcefieldtools.org/Tutorial/Tutorial-1.php
-I.3.4.- The mol3 file format
http://q4md-forcefieldtools.org/Tutorial/leap-mol3.php
regards, Francois
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Received on Sun Nov 20 2011 - 08:30:03 PST
